Concepedia
Journal of Computer-Aided Molecular Design · 1987 · 76 citations · 21 references
ComputingComputer ScienceArtificial IntelligenceMachine LearningScientific ComputingConformational AnalysisConformational ChangeNeural NetworksProtein ConformationStructure PredictionProtein Conformation Analysis
21
Ground states of molecules. 38. The MNDO method. Approximations and parameters
Michael J. S. Dewar, Walter Thiel · Journal of the American Chemical Society · 1977 · 5.1K citations
Natural Sciences, Chemistry, Computational Chemistry +5
Approximate Self-Consistent Molecular-Orbital Theory. V. Intermediate Neglect of Differential Overlap
John A. Pople, D. L. Beveridge, Paul A. Dobosh · The Journal of Chemical Physics · 1967 · 1.5K citations
Natural Sciences, Chemistry, Physics +13
The Cambridge Crystallographic Data Centre: computer-based search, retrieval, analysis and display of information
Frank H. Allen, S. Bellard, M. D. Brice et al. · Acta Crystallographica Section B · 1979 · 1.2K citations
Natural Sciences, Chemistry, Computer Science +14
Strategic approaches to drug design. I. An integrated software framework for molecular modelling
Jeremy G. Vinter, Andy Davis, Martin Saunders · Journal of Computer-Aided Molecular Design · 1987 · 323 citations
Pharmacy, Medicinal Chemistry, Biomolecular Modeling +13
Application of strain energy minimization to the dynamics of conformational changes
Kenneth B. Wiberg, Richard H. Boyd · Journal of the American Chemical Society · 1972 · 124 citations
Natural Sciences, Chemistry, Chemical Kinetics +9